17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene

C37H23N3S — CID 90267191

IUPAC17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccc3c5ccccc5sc3c2n4-c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-26(11-3-1)39-20-18-25-22-34-31(23-33(25)39)29-16-17-30-28-13-4-5-15-35(28)41-37(30)36(29)40(34)27-12-8-9-24(21-27)32-14-6-7-19-38-32/h1-23H
InChIKeyZDJLSGOBNUPWCP-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.16
Rot. Bonds3

About 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene

17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene (PubChem CID 90267191) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene.

Molecular Properties

Compound Name17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
PubChem CID90267191
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccc3c5ccccc5sc3c2n4-c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-26(11-3-1)39-20-18-25-22-34-31(23-33(25)39)29-16-17-30-28-13-4-5-15-35(28)41-37(30)36(29)40(34)27-12-8-9-24(21-27)32-14-6-7-19-38-32/h1-23H
InChIKeyZDJLSGOBNUPWCP-UHFFFAOYSA-N
XLogP10.16
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene with MolForge

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Related Compounds

18-phenyl-14-(3-pyridin-2-ylphenyl)-10-thia-14,18-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267158
10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267588
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827
17-phenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267168
(Z)-but-2-ene;14-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-20-phenyl-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene;ethane
CID 144661712
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
20-phenyl-14-(6-pyridin-3-yl-2-pyridinyl)-10-thia-14,20-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
CID 90267109
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-19-phenyl-10-thia-14,19-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267665
11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene
CID 158372388
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The IUPAC name of 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene (CID 90267191) is 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene.
What is the SMILES notation for 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The canonical SMILES for 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene is c1ccc(-n2ccc3cc4c(cc32)c2ccc3c5ccccc5sc3c2n4-c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
The InChIKey is ZDJLSGOBNUPWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-2-10-26(11-3-1)39-20-18-25-22-34-31(23-33(25)39)29-16-17-30-28-13-4-5-15-35(28)41-37(30)36(29)40(34)27-12-8-9-24(21-27)32-14-6-7-19-38-32/h1-23H.
What are the key properties of 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene?
17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene has a molecular weight of 541.68 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene is sourced from PubChem (CID 90267191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).